Extraction and ab initio calculation studies on the complexation of Ca2+ with valinomycin
Result description
From extraction experiments and ?-activity measurements, the exchange extraction constant corresponding to the equilibrium of Ca2+ with valinomycin taking place in the two-phase water-nitrobenzene system was evaluated. Further, the stability constant ofthe valinomycin-calcium complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C. By using quantum mechanical DFT calculations, the most probable structure of the complex of valinomycin with Ca2+ and H2O was predicted.
Keywords
The result's identifiers
Result code in IS VaVaI
Alternative codes found
RIV/60461373:22340/09:00021795 RIV/49777513:23520/09:00501653
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Extraction and ab initio calculation studies on the complexation of Ca2+ with valinomycin
Original language description
From extraction experiments and ?-activity measurements, the exchange extraction constant corresponding to the equilibrium of Ca2+ with valinomycin taking place in the two-phase water-nitrobenzene system was evaluated. Further, the stability constant ofthe valinomycin-calcium complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C. By using quantum mechanical DFT calculations, the most probable structure of the complex of valinomycin with Ca2+ and H2O was predicted.
Czech name
Studium komplexace Ca2+ s valinomycinem pomocí extrakce a ab inicio výpočtů
Czech description
Pomocí extrakčních experimentů a měření ?-aktivity byla stanovena extrakční konstanta odpovídající rovnováze Ca2+ s valinomycinem ve dvoufázovém systému voda-nitrobenzen. Dále byla vypočítána stabilizační konstanta komplexu valinomycin-vápník v nitrobenzenu saturovaném vodou při teplotě 25 °C. Pomocí kvantově mechanických DFT výpočtů byla předpovězena nejpravděpodobnější struktura komplexu valinomycinu s Ca2+ a H2O.
Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CD - Macromolecular chemistry
OECD FORD branch
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Result continuities
Project
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Radioanalytical and Nuclear Chemistry
ISSN
0236-5731
e-ISSN
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Volume of the periodical
279
Issue of the periodical within the volume
2
Country of publishing house
HU - HUNGARY
Number of pages
7
Pages from-to
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UT code for WoS article
000262673500026
EID of the result in the Scopus database
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Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
CD - Macromolecular chemistry
Year of implementation
2009